1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-quinolin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-(2-quinolylthio)ethanone Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H22N2O3S/c1-16-11-20(17(2)27(16)13-18-7-9-23-24(12-18)30-15-29-23)22(28)14-31-25-10-8-19-5-3-4-6-21(19)26-25/h3-12H,13-15H2,1-2H3